SCHEMBL2320392

SCHEMBL2320392

O=C(CC1CCN(C(=O)CC(F)(F)F)CC1)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.54
NAMPT P43490 4/20 0.48
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
TPSAB1 Q15661 1/20 0.45
IDO1 P14902 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2322857 0.85 EPHX2 (0.56) EPHX2NAMPTKMT2A
SCHEMBL2317806 0.82 EPHX2 (0.55) EPHX2NAMPTHDAC1HDAC2TPSAB1
SCHEMBL2320339 0.81 EPHX2 (0.56) EPHX2NAMPTTPSAB1IDO1NPC1
SCHEMBL2317254 0.80 SMN1; SMN2 (0.51) EPHX2NAMPTTPSAB1IDO1NPC1
SCHEMBL2315693 0.79 EPHX2 (0.58) EPHX2NAMPTTPSAB1IDO1NPC1
SCHEMBL2316963 0.79 PTPN2 (0.64) NAMPTPTPN2PTPN1ALDH1A1
SCHEMBL2319255 0.74 EPHX2 (0.60) EPHX2NAMPTHDAC3HDAC4HDAC1
SCHEMBL2320713 0.74 HDAC1 (0.53) EPHX2NAMPTHDAC3HDAC1HDAC2
SCHEMBL2358472 0.74 PTPN2 (0.57) NAMPTTPSAB1PTPN2PTPN1ALDH1A1
SCHEMBL2318111 0.73 BRD4 (0.50) EPHX2NAMPTHDAC3HDAC1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
EP-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 WO disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R EPHX2 2159/4885NAMPT 1533/4885HDAC3 1119/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.